#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 -0.62 -4.13 1.61 7.64 -1.26 -5.06 113.62 111.80 1x57 n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1x57 n SER 2 Cb 0.00 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1x57 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x57 s SER 3 N -1.88 0.23 0.00 6.43 0.01 -1.26 -5.05 113.70 112.19 1x57 s SER 3 Ca 0.00 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1x57 s SER 3 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1x57 s SER 3 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1x57 n GLY 4 N -0.15 -0.61 3.77 3.44 0.00 -1.26 -5.16 105.19 105.21 1x57 n GLY 4 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x57 s SER 5 N 0.00 3.06 -0.05 1.61 0.01 -1.26 -5.02 113.70 112.05 1x57 s SER 5 Ca 0.00 0.86 -0.19 0.00 1.31 0.00 0.00 55.95 57.93 1x57 s SER 5 Cb 0.00 -1.34 -0.14 0.00 0.21 0.00 0.00 66.02 64.75 1x57 s SER 5 CO 0.00 -2.82 0.80 -1.28 0.41 0.00 0.00 173.24 170.34 1x57 h SER 6 N -1.69 -0.23 -1.39 2.44 0.87 -2.06 -3.50 113.55 107.99 1x57 h SER 6 Ca -0.49 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1x57 h SER 6 Cb 1.32 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1x57 h SER 6 CO 0.55 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.76 1x57 n GLY 7 N 0.60 -1.26 3.61 5.77 0.00 -1.26 -5.16 105.19 107.48 1x57 n GLY 7 Ca -0.07 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1x57 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x57 s ASP 8 N -1.23 -0.65 0.71 1.61 2.15 -1.26 -5.13 116.67 112.87 1x57 s ASP 8 Ca 0.00 1.15 0.00 0.00 0.43 0.00 0.00 52.55 54.13 1x57 s ASP 8 Cb 0.00 1.12 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 1x57 s ASP 8 CO 0.00 -0.30 0.00 0.54 -0.17 0.00 0.00 175.17 175.24 1x57 n ARG 9 N 2.17 -0.57 -2.19 4.34 3.00 -1.26 -4.78 116.66 117.38 1x57 n ARG 9 Ca -0.14 0.37 -0.27 0.00 -0.01 0.00 0.00 57.85 57.80 1x57 n ARG 9 Cb 0.56 -0.69 0.05 0.00 0.00 0.00 0.00 32.46 32.38 1x57 n ARG 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1x57 s VAL 10 N -0.47 2.97 0.56 1.55 -7.23 -1.26 -5.12 120.40 111.40 1x57 s VAL 10 Ca 0.00 -0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 1x57 s VAL 10 Cb 0.00 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 1x57 s VAL 10 CO 0.00 -0.28 0.96 0.28 -0.31 0.00 0.00 175.10 175.75 1x57 s THR 11 N -3.21 4.70 0.96 5.32 -1.32 -1.26 -5.09 115.64 115.75 1x57 s THR 11 Ca 0.58 0.84 -0.12 0.00 -1.21 0.00 0.00 61.69 61.77 1x57 s THR 11 Cb -0.11 -3.82 0.17 0.00 -1.51 0.00 0.00 72.50 67.23 1x57 s THR 11 CO 0.47 -0.95 1.09 -0.76 -2.21 0.00 0.00 174.62 172.26 1x57 s LEU 12 N -4.75 1.84 0.09 9.08 2.01 -1.26 -4.84 118.68 120.85 1x57 s LEU 12 Ca 0.54 1.33 -0.32 0.00 0.01 0.00 0.00 54.13 55.69 1x57 s LEU 12 Cb -0.11 -3.60 -0.15 0.00 0.01 0.00 0.00 46.19 42.35 1x57 s LEU 12 CO 0.46 -2.98 1.61 -0.33 1.01 0.00 0.00 176.35 176.12 1x57 h GLU 13 N -1.79 -0.77 0.30 1.70 3.07 -1.98 0.63 114.58 115.74 1x57 h GLU 13 Ca -0.53 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1x57 h GLU 13 Cb 1.31 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 29.36 1x57 h GLU 13 CO 0.56 -0.52 -0.45 0.28 -1.40 0.00 0.00 179.01 177.48 1x57 h VAL 14 N -0.80 0.10 -0.65 3.13 2.07 -1.93 -0.82 116.25 117.35 1x57 h VAL 14 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1x57 h VAL 14 Cb 0.69 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 1x57 h VAL 14 CO -0.01 0.00 0.17 1.23 0.02 0.00 0.00 177.57 178.99 1x57 h GLY 15 N -0.81 0.88 0.91 2.17 0.00 -1.69 0.19 103.07 104.72 1x57 h GLY 15 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1x57 h GLY 15 CO -0.16 -0.12 -0.16 1.70 0.00 0.00 0.00 176.54 177.81 1x57 h LYS 16 N 0.30 -0.38 -0.30 4.80 3.64 -0.30 0.17 116.57 124.51 1x57 h LYS 16 Ca 0.35 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1x57 h LYS 16 Cb 0.53 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1x57 h LYS 16 CO -0.41 -0.26 0.05 0.28 -2.27 0.00 0.00 179.45 176.84 1x57 h VAL 17 N -0.40 1.16 0.65 2.00 2.07 -0.69 0.25 116.25 121.29 1x57 h VAL 17 Ca -0.02 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1x57 h VAL 17 Cb 0.33 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1x57 h VAL 17 CO 0.02 0.20 -0.31 0.40 0.02 0.00 0.00 177.57 177.90 1x57 h ILE 18 N 0.43 0.10 -0.58 4.57 2.04 -0.28 0.16 117.51 123.95 1x57 h ILE 18 Ca 0.10 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1x57 h ILE 18 Cb 0.21 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 1x57 h ILE 18 CO -0.00 0.02 0.09 -0.61 0.00 0.00 0.00 178.15 177.64 1x57 h GLN 19 N -1.18 0.21 0.37 2.37 4.15 -0.50 0.12 115.11 120.65 1x57 h GLN 19 Ca -0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1x57 h GLN 19 Cb 0.69 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1x57 h GLN 19 CO 0.15 0.14 -0.18 1.96 -1.93 0.00 0.00 178.83 178.97 1x57 h GLN 20 N 0.21 -0.47 0.00 1.69 4.20 -1.00 -2.84 115.11 116.90 1x57 h GLN 20 Ca 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1x57 h GLN 20 Cb 0.45 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1x57 h GLN 20 CO -0.42 -0.32 -0.10 0.78 -0.67 0.00 0.00 178.83 178.11 1x57 h GLY 21 N -0.50 0.00 0.48 3.46 0.00 -0.24 0.27 103.07 106.54 1x57 h GLY 21 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1x57 h GLY 21 CO 0.08 0.00 -0.29 3.21 0.00 0.00 0.00 176.54 179.55 1x57 h ARG 22 N 0.00 -0.68 0.00 4.80 3.08 -0.86 -3.24 114.38 117.47 1x57 h ARG 22 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x57 h ARG 22 Cb 0.23 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1x57 h ARG 22 CO 0.01 -0.46 0.00 1.04 -1.07 0.00 0.00 179.97 179.50 1x57 n GLN 23 N -4.12 0.07 0.11 0.04 6.02 -0.10 -0.71 117.38 118.70 1x57 n GLN 23 Ca -0.09 0.22 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1x57 n GLN 23 Cb 0.29 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.51 1x57 n GLN 23 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1x57 n SER 24 N -1.42 0.54 -0.10 1.08 7.64 0.78 -3.28 113.62 118.85 1x57 n SER 24 Ca 0.05 0.64 0.01 0.00 1.01 0.00 0.00 58.87 60.57 1x57 n SER 24 Cb 0.14 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -2.10 0.78 -0.80 1.43 5.02 0.12 -5.01 118.16 117.60 1x57 n LYS 25 Ca 0.02 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1x57 n LYS 25 Cb 0.20 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.23 0.21 3.69 0.72 0.00 -0.34 -4.93 105.19 104.32 1x57 n GLY 26 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N 0.00 4.35 1.07 0.99 1.43 -0.25 -4.80 118.68 121.47 1x57 s LEU 27 Ca 0.00 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1x57 s LEU 27 Cb 0.00 -3.57 0.23 0.00 0.03 0.00 0.00 46.19 42.88 1x57 s LEU 27 CO 0.00 -0.82 1.07 0.42 0.23 0.00 0.00 176.35 177.25 1x57 s THR 28 N 2.34 2.08 0.33 5.49 -4.23 -1.26 -4.45 115.64 115.93 1x57 s THR 28 Ca 0.70 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1x57 s THR 28 Cb -0.38 -2.32 0.15 0.00 1.34 0.00 0.00 72.50 71.29 1x57 s THR 28 CO 0.30 -0.03 1.85 1.56 -0.54 0.00 0.00 174.62 177.76 1x57 h GLN 29 N -2.20 0.53 -0.51 3.99 4.20 -1.95 -0.89 115.11 118.28 1x57 h GLN 29 Ca -0.57 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.01 1x57 h GLN 29 Cb 1.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 1x57 h GLN 29 CO 0.54 0.58 0.29 0.87 -0.67 0.00 0.00 178.83 180.44 1x57 h LYS 30 N 0.51 0.71 -0.48 1.46 1.57 -1.92 -0.81 116.57 117.60 1x57 h LYS 30 Ca 0.10 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1x57 h LYS 30 Cb 0.38 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1x57 h LYS 30 CO 0.02 0.54 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.93 1x57 h ASP 31 N 0.69 0.84 0.15 0.86 3.32 -1.75 -0.20 116.42 120.33 1x57 h ASP 31 Ca 0.18 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1x57 h ASP 31 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1x57 h ASP 31 CO -0.03 0.94 -0.11 0.25 -1.72 0.00 0.00 179.24 178.57 1x57 h LEU 32 N 0.78 -0.27 -0.41 1.55 7.12 -1.06 -1.60 115.31 121.41 1x57 h LEU 32 Ca 0.14 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.24 1x57 h LEU 32 Cb 0.56 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 1x57 h LEU 32 CO 0.03 -0.17 0.02 0.00 -0.13 0.00 0.00 178.44 178.20 1x57 h ALA 33 N 0.59 0.40 -0.46 1.25 0.00 -0.53 -0.56 119.26 119.96 1x57 h ALA 33 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x57 h ALA 33 Cb 0.23 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1x57 h ALA 33 CO -0.00 -0.37 0.24 1.15 0.00 0.00 0.00 179.25 180.26 1x57 h THR 34 N 0.14 0.98 -0.02 0.00 2.02 -1.01 0.73 112.91 115.74 1x57 h THR 34 Ca 0.20 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1x57 h THR 34 Cb 0.28 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1x57 h THR 34 CO -0.32 0.09 0.05 0.11 0.37 0.00 0.00 175.52 175.82 1x57 h LYS 35 N 0.47 0.00 -0.15 6.66 1.57 -0.08 -1.60 116.57 123.44 1x57 h LYS 35 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x57 h LYS 35 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1x57 h LYS 35 CO -0.13 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.19 1x57 n ILE 36 N -3.38 0.60 -3.91 1.86 -5.35 -0.90 -4.90 119.36 103.37 1x57 n ILE 36 Ca -0.02 -0.80 -0.26 0.00 -0.27 0.00 0.00 62.75 61.40 1x57 n ILE 36 Cb 0.13 0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 1x57 n ILE 36 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x57 n ASN 37 N 0.31 -1.12 -1.89 7.28 3.02 -0.17 -5.00 115.26 117.68 1x57 n ASN 37 Ca 0.07 -0.94 -0.03 0.00 -0.03 0.00 0.00 54.58 53.64 1x57 n ASN 37 Cb 0.31 -3.33 -0.01 0.00 -0.61 0.00 0.00 39.78 36.14 1x57 n ASN 37 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1x57 n GLU 38 N -4.39 1.17 -4.07 3.52 4.07 0.07 -5.00 120.64 116.01 1x57 n GLU 38 Ca -0.25 -0.39 -0.33 0.00 -0.06 0.00 0.00 57.16 56.13 1x57 n GLU 38 Cb 0.65 0.18 -0.07 0.00 -0.06 0.00 0.00 31.44 32.15 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1x57 s LYS 39 N -2.18 3.10 0.48 5.31 -0.14 -1.26 -4.31 119.74 120.73 1x57 s LYS 39 Ca 0.02 -0.49 0.30 0.00 -1.36 0.00 0.00 55.97 54.43 1x57 s LYS 39 Cb 0.00 -2.88 1.04 0.00 -1.68 0.00 0.00 37.83 34.31 1x57 s LYS 39 CO 0.01 0.64 1.85 -1.00 -0.76 0.00 0.00 175.35 176.09 1x57 h PRO 40 N 3.94 0.00 0.14 -1.68 0.13 -1.90 -2.45 132.00 130.18 1x57 h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x57 h PRO 40 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1x57 h PRO 40 CO 0.64 0.00 -0.13 0.37 -0.23 0.00 0.00 178.00 178.65 1x57 h GLN 41 N 0.00 -0.28 0.00 0.86 5.75 -1.95 -2.44 115.11 117.05 1x57 h GLN 41 Ca 0.00 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1x57 h GLN 41 Cb 0.63 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 1x57 h GLN 41 CO 0.00 -0.19 -0.28 -0.39 -2.65 0.00 0.00 178.83 175.33 1x57 h VAL 42 N -0.29 1.10 0.01 2.39 -1.51 -1.87 -1.01 116.25 115.08 1x57 h VAL 42 Ca 0.00 -0.97 -0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1x57 h VAL 42 Cb 0.27 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1x57 h VAL 42 CO -0.03 0.27 -0.01 0.40 -1.23 0.00 0.00 177.57 176.98 1x57 h ILE 43 N 0.00 1.05 -0.15 7.19 1.08 -1.39 0.30 117.51 125.60 1x57 h ILE 43 Ca -0.00 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1x57 h ILE 43 Cb 0.52 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1x57 h ILE 43 CO 0.04 0.05 -0.07 0.00 -0.69 0.00 0.00 178.15 177.47 1x57 h ALA 44 N 0.88 1.61 0.03 1.87 0.00 -0.93 -1.65 119.26 121.07 1x57 h ALA 44 Ca -0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 1x57 h ALA 44 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x57 h ALA 44 CO 0.00 0.29 -0.96 -0.44 0.00 0.00 0.00 179.25 178.14 1x57 h ASP 45 N 0.22 0.31 -0.68 0.00 3.32 -0.86 -2.89 116.42 115.84 1x57 h ASP 45 Ca 0.05 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1x57 h ASP 45 Cb 0.27 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1x57 h ASP 45 CO 0.01 1.11 0.41 1.88 -1.72 0.00 0.00 179.24 180.93 1x57 h TYR 46 N 0.11 0.75 0.85 4.55 -1.99 0.12 0.19 116.97 121.55 1x57 h TYR 46 Ca -0.06 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 1x57 h TYR 46 Cb 1.62 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 40.12 1x57 h TYR 46 CO 0.04 0.40 -0.41 0.93 -0.00 0.00 0.00 178.16 179.12 1x57 h GLU 47 N 0.77 -1.09 0.00 4.88 5.08 -1.27 -2.72 114.58 120.22 1x57 h GLU 47 Ca 0.29 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1x57 h GLU 47 Cb 0.11 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1x57 h GLU 47 CO -0.14 -0.73 0.00 0.43 -1.00 0.00 0.00 179.01 177.57 1x57 n SER 48 N -5.58 0.00 0.00 1.42 7.64 -1.10 -4.06 113.62 111.94 1x57 n SER 48 Ca -0.15 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1x57 n SER 48 Cb 0.45 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1x57 n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 49 N -0.52 0.75 0.18 0.23 0.00 -0.39 -4.88 105.19 100.56 1x57 n GLY 49 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 3.99 0.55 -6.89 1.61 3.08 -0.95 -3.43 114.38 112.35 1x57 h ARG 50 Ca 0.00 -0.33 -0.53 0.00 0.07 0.00 0.00 59.98 59.19 1x57 h ARG 50 Cb 0.00 0.03 0.08 0.00 0.08 0.00 0.00 29.97 30.16 1x57 h ARG 50 CO 0.00 0.94 0.71 0.00 -1.07 0.00 0.00 179.97 180.55 1x57 s ALA 51 N -4.15 3.55 -0.23 0.04 0.00 -0.89 -4.95 121.76 115.13 1x57 s ALA 51 Ca -0.13 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1x57 s ALA 51 Cb 0.07 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1x57 s ALA 51 CO 0.81 -0.81 1.34 0.42 0.00 0.00 0.00 175.76 177.51 1x57 s ILE 52 N -0.96 4.11 -0.32 0.00 -1.09 -1.26 -4.73 121.20 116.95 1x57 s ILE 52 Ca 0.52 1.30 -0.29 0.00 -2.23 0.00 0.00 60.65 59.95 1x57 s ILE 52 Cb -0.43 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.45 1x57 s ILE 52 CO 0.55 -0.30 1.24 -2.16 -1.23 0.00 0.00 174.94 173.04 1x57 s PRO 53 N 3.97 3.94 0.01 2.79 0.04 -1.26 -4.98 135.00 139.51 1x57 s PRO 53 Ca 0.58 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1x57 s PRO 53 Cb -0.20 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1x57 s PRO 53 CO 0.21 -1.09 0.92 1.21 0.04 0.00 0.00 177.00 178.29 1x57 s ASN 54 N 2.51 7.32 0.44 6.66 3.84 -1.26 -4.92 114.94 129.53 1x57 s ASN 54 Ca 0.53 1.60 0.17 0.00 0.21 0.00 0.00 52.86 55.36 1x57 s ASN 54 Cb -0.15 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.11 1x57 s ASN 54 CO 0.22 -0.18 1.94 -0.55 -2.79 0.00 0.00 177.10 175.74 1x57 h ASN 55 N 6.49 0.33 0.58 -4.21 -1.07 -1.99 0.18 115.58 115.89 1x57 h ASN 55 Ca -0.42 0.02 -0.03 0.00 0.07 0.00 0.00 56.30 55.94 1x57 h ASN 55 Cb 1.21 -0.05 0.01 0.00 -2.07 0.00 0.00 38.32 37.42 1x57 h ASN 55 CO 0.74 0.18 -0.28 -0.61 0.07 0.00 0.00 177.43 177.53 1x57 h GLN 56 N 0.36 -0.75 -0.86 4.14 4.15 -2.01 -3.17 115.11 116.96 1x57 h GLN 56 Ca 0.33 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.80 1x57 h GLN 56 Cb 0.81 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 1x57 h GLN 56 CO -0.09 -0.50 0.54 0.28 -1.93 0.00 0.00 178.83 177.13 1x57 h VAL 57 N -0.81 1.23 -0.75 2.39 2.07 -1.81 -2.15 116.25 116.43 1x57 h VAL 57 Ca -0.08 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.12 1x57 h VAL 57 Cb 0.60 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.25 1x57 h VAL 57 CO 0.13 0.24 0.13 -0.07 0.02 0.00 0.00 177.57 178.02 1x57 h LEU 58 N 1.18 -0.09 -0.60 2.57 3.38 -0.73 0.23 115.31 121.25 1x57 h LEU 58 Ca 0.31 0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.29 1x57 h LEU 58 Cb -0.08 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1x57 h LEU 58 CO -0.06 -0.09 -0.61 1.23 0.09 0.00 0.00 178.44 179.00 1x57 h GLY 59 N 0.21 0.34 1.06 0.83 0.00 -1.37 -1.47 103.07 102.67 1x57 h GLY 59 Ca 0.42 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1x57 h GLY 59 CO -0.56 0.38 0.18 0.50 0.00 0.00 0.00 176.54 177.04 1x57 h LYS 60 N 0.23 1.13 -0.53 4.80 1.57 -0.65 -2.03 116.57 121.09 1x57 h LYS 60 Ca -0.01 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1x57 h LYS 60 Cb 1.13 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1x57 h LYS 60 CO 0.10 0.99 0.13 0.82 -0.57 0.00 0.00 179.45 180.92 1x57 h ILE 61 N 1.07 1.22 -0.03 1.86 2.04 -0.48 0.26 117.51 123.45 1x57 h ILE 61 Ca 0.23 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1x57 h ILE 61 Cb 0.36 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1x57 h ILE 61 CO 0.00 0.30 -0.09 -0.33 0.00 0.00 0.00 178.15 178.02 1x57 h GLU 62 N 0.78 -0.14 0.00 2.37 5.08 -0.59 -0.87 114.58 121.21 1x57 h GLU 62 Ca 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1x57 h GLU 62 Cb 0.28 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x57 h GLU 62 CO -0.00 -0.09 -0.12 0.00 -1.00 0.00 0.00 179.01 177.80 1x57 h ARG 63 N -0.14 0.00 -0.71 2.33 3.08 -1.09 0.39 114.38 118.24 1x57 h ARG 63 Ca 0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1x57 h ARG 63 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1x57 h ARG 63 CO -0.12 0.12 0.34 0.00 -1.07 0.00 0.00 179.97 179.24 1x57 h ALA 64 N 1.88 1.26 -0.00 0.04 0.00 0.47 -3.31 119.26 119.60 1x57 h ALA 64 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x57 h ALA 64 Cb 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x57 h ALA 64 CO 0.02 0.57 -0.06 0.44 0.00 0.00 0.00 179.25 180.21 1x57 n ILE 65 N -4.33 0.00 -3.02 0.00 -5.35 -0.90 -4.99 119.36 100.77 1x57 n ILE 65 Ca 0.07 -0.47 -0.19 0.00 -0.27 0.00 0.00 62.75 61.89 1x57 n ILE 65 Cb 0.14 1.00 0.04 0.00 -1.74 0.00 0.00 39.64 39.08 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 0.94 -0.31 3.28 3.28 0.00 0.14 -4.95 105.19 107.57 1x57 n GLY 66 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -5.79 2.08 0.30 0.99 1.43 -1.19 -3.16 118.68 113.36 1x57 s LEU 67 Ca 0.31 -1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 51.92 1x57 s LEU 67 Cb -0.14 -0.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.86 1x57 s LEU 67 CO 0.38 -0.57 1.04 -0.54 0.23 0.00 0.00 176.35 176.90 1x57 s LYS 68 N -3.91 4.56 -0.01 1.70 1.02 0.11 -4.35 119.74 118.86 1x57 s LYS 68 Ca 0.27 1.62 0.03 0.00 0.02 0.00 0.00 55.97 57.92 1x57 s LYS 68 Cb 0.06 -3.01 0.08 0.00 -0.52 0.00 0.00 37.83 34.43 1x57 s LYS 68 CO 0.07 0.20 1.05 1.28 -0.92 0.00 0.00 175.35 177.03 1x57 n LEU 69 N 0.88 2.19 -4.17 3.17 7.99 -1.26 -0.97 117.00 124.83 1x57 n LEU 69 Ca 0.00 -2.12 -0.11 0.00 -0.01 0.00 0.00 56.01 53.78 1x57 n LEU 69 Cb 0.47 -0.08 -0.10 0.00 -0.11 0.00 0.00 43.42 43.60 1x57 n LEU 69 CO 0.50 0.55 -0.26 -0.13 -1.51 0.00 0.00 177.39 176.55 1x57 s ARG 70 N -1.20 1.08 0.16 3.23 0.52 -1.26 -4.90 118.95 116.58 1x57 s ARG 70 Ca 0.07 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1x57 s ARG 70 Cb 0.05 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.78 1x57 s ARG 70 CO 0.03 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.42 1x57 n GLY 71 N -0.19 -2.11 0.07 -3.53 0.00 -1.26 -3.55 105.19 94.62 1x57 n GLY 71 Ca -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.76 1x57 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x57 n LYS 72 N -3.01 0.16 0.00 1.61 4.81 -1.26 -2.84 118.16 117.63 1x57 n LYS 72 Ca -0.01 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1x57 n LYS 72 Cb 0.23 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x57 n ASP 73 N -1.99 0.64 -4.60 3.14 8.00 -1.26 -4.91 116.55 115.56 1x57 n ASP 73 Ca 0.05 -1.50 -0.39 0.00 0.71 0.00 0.00 54.79 53.66 1x57 n ASP 73 Cb 0.34 -0.32 0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x57 n ILE 74 N 0.03 3.17 -0.59 0.53 3.06 -1.13 -2.14 119.36 122.29 1x57 n ILE 74 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1x57 n ILE 74 Cb 0.16 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.23 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 1.31 0.49 3.80 4.50 0.00 -0.14 -4.92 105.19 110.23 1x57 n GLY 75 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.53 3.22 0.83 1.61 -0.14 -0.91 -4.75 119.74 119.07 1x57 s LYS 76 Ca 0.00 1.21 -0.13 0.00 -1.36 0.00 0.00 55.97 55.69 1x57 s LYS 76 Cb 0.00 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.19 1x57 s LYS 76 CO 0.00 -0.89 0.95 -2.30 -0.76 0.00 0.00 175.35 172.35 1x57 n PRO 77 N -2.16 0.06 -3.96 -1.68 -0.02 -1.26 0.06 135.00 126.03 1x57 n PRO 77 Ca 0.09 0.09 -0.27 0.00 -2.02 0.00 0.00 63.50 61.39 1x57 n PRO 77 Cb 0.53 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1x57 n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x57 s ILE 78 N -2.19 5.21 -0.29 4.25 -4.36 -1.19 -4.40 121.20 118.23 1x57 s ILE 78 Ca 0.69 -0.69 -0.08 0.00 -0.26 0.00 0.00 60.65 60.31 1x57 s ILE 78 Cb -0.28 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 39.79 1x57 s ILE 78 CO 0.55 -0.05 0.17 -1.84 0.24 0.00 0.00 174.94 174.02 1x57 n GLU 79 N -0.35 -0.79 0.00 0.37 0.28 -1.26 -4.39 120.64 114.50 1x57 n GLU 79 Ca -0.07 -0.31 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 1x57 n GLU 79 Cb 0.53 0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1x57 n GLU 79 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1x57 n LYS 80 N -1.86 0.00 -3.74 3.44 4.81 -1.26 -5.13 118.16 114.42 1x57 n LYS 80 Ca -0.03 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.03 1x57 n LYS 80 Cb 0.15 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.08 1x57 n LYS 80 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1x57 s GLY 81 N -0.48 1.88 -1.03 3.14 0.00 -1.26 -5.02 107.32 104.56 1x57 s GLY 81 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 44.72 42.64 1x57 s GLY 81 CO 0.00 0.83 2.09 -1.55 0.00 0.00 0.00 173.10 174.47 1x57 n PRO 82 N 4.79 2.06 -3.64 2.90 -0.04 -1.26 -4.81 135.00 135.01 1x57 n PRO 82 Ca -0.11 -2.03 -0.21 0.00 -0.04 0.00 0.00 63.50 61.11 1x57 n PRO 82 Cb 0.44 -2.96 -0.17 0.00 -0.04 0.00 0.00 33.50 30.77 1x57 n PRO 82 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x57 s ARG 83 N 4.16 0.01 0.37 0.54 1.81 -1.26 -5.13 118.95 119.45 1x57 s ARG 83 Ca 0.53 0.26 -0.27 0.00 -1.72 0.00 0.00 55.73 54.53 1x57 s ARG 83 Cb 0.14 -0.94 -0.11 0.00 -0.45 0.00 0.00 34.95 33.59 1x57 s ARG 83 CO 0.03 -0.46 1.29 0.00 -0.68 0.00 0.00 175.30 175.48 1x57 n ALA 84 N 5.30 1.35 -1.76 2.13 0.00 -1.26 -4.96 120.51 121.32 1x57 n ALA 84 Ca -0.05 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 1x57 n ALA 84 Cb 0.50 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.71 1x57 n ALA 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x57 s LYS 85 N -2.01 3.25 0.01 0.00 1.02 -1.26 -4.96 119.74 115.79 1x57 s LYS 85 Ca 0.57 2.00 -0.22 0.00 0.02 0.00 0.00 55.97 58.34 1x57 s LYS 85 Cb -0.54 -2.20 -0.18 0.00 -0.52 0.00 0.00 37.83 34.39 1x57 s LYS 85 CO 0.61 -1.03 1.26 1.03 -0.92 0.00 0.00 175.35 176.30 1x57 h SER 86 N 1.45 0.27 -3.18 2.83 0.87 -1.98 -3.42 113.55 110.38 1x57 h SER 86 Ca -0.50 -0.55 -0.57 0.00 -1.23 0.00 0.00 61.79 58.94 1x57 h SER 86 Cb 1.29 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1x57 h SER 86 CO 0.57 0.76 0.87 -0.83 -0.53 0.00 0.00 176.83 177.67 1x57 s GLY 87 N -3.48 1.57 0.57 5.77 0.00 -1.26 -5.05 107.32 105.43 1x57 s GLY 87 Ca -0.15 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 1x57 s GLY 87 CO 0.74 2.34 0.66 -1.55 0.00 0.00 0.00 173.10 175.28 1x57 n PRO 88 N 6.80 -1.25 -4.17 2.90 -0.04 -1.26 -5.04 135.00 132.94 1x57 n PRO 88 Ca 0.13 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.46 1x57 n PRO 88 Cb 0.46 -0.78 -0.10 0.00 -0.04 0.00 0.00 33.50 33.04 1x57 n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x57 s SER 89 N -3.39 0.76 -0.11 3.54 1.04 -1.26 -5.10 113.70 109.18 1x57 s SER 89 Ca 0.39 -1.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 1x57 s SER 89 Cb -0.02 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1x57 s SER 89 CO 0.28 -0.61 1.03 -0.55 0.98 0.00 0.00 173.24 174.38 1x57 s SER 90 N -3.06 7.21 0.00 7.02 0.15 -1.26 -5.31 113.70 118.45 1x57 s SER 90 Ca 0.18 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1x57 s SER 90 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1x57 s SER 90 CO -0.01 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.55